N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

C29H37F3N4O3 — CID 129189020

About N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 129189020) has the molecular formula C29H37F3N4O3 and a molecular weight of 546.63 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 129189020
• Molecular Formula: C29H37F3N4O3
• Molecular Weight: 546.63 g/mol
• Exact Mass: 546.28
• IUPAC Name: N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
• SMILES: Cc1nc(N2CCC(CC3CCN(C(=O)[C@](O)(c4ccccc4)C(F)(F)F)CC3)CC2)ccc1C(=O)N(C)C
• InChI: InChI=1S/C29H37F3N4O3/c1-20-24(26(37)34(2)3)9-10-25(33-20)35-15-11-21(12-16-35)19-22-13-17-36(18-14-22)27(38)28(39,29(30,31)32)23-7-5-4-6-8-23/h4-10,21-22,39H,11-19H2,1-3H3/t28-/m1/s1
• InChIKey: LNHCRXPXNIVFCO-MUUNZHRXSA-N
• XLogP: 4.39
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.63
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 129189020) is N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is Cc1nc(N2CCC(CC3CCN(C(=O)[C@](O)(c4ccccc4)C(F)(F)F)CC3)CC2)ccc1C(=O)N(C)C.

What is the InChIKey of N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is LNHCRXPXNIVFCO-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H37F3N4O3/c1-20-24(26(37)34(2)3)9-10-25(33-20)35-15-11-21(12-16-35)19-22-13-17-36(18-14-22)27(38)28(39,29(30,31)32)23-7-5-4-6-8-23/h4-10,21-22,39H,11-19H2,1-3H3/t28-/m1/s1.

What are the key properties of N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 546.63 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129189020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).